KEGG   COMPOUND: C00223Help
Entry
C00223                      Compound                               

Name
p-Coumaroyl-CoA;
4-Coumaroyl-CoA;
4-Hydroxycinnamoyl-CoA;
trans-4-Coumaroyl-CoA
Formula
C30H42N7O18P3S
Exact mass
913.152
Mol weight
913.6769
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00130  Ubiquinone and other terpenoid-quinone biosynthesis
map00330  Arginine and proline metabolism
map00940  Phenylpropanoid biosynthesis
map00941  Flavonoid biosynthesis
map00945  Stilbenoid, diarylheptanoid and gingerol biosynthesis
map00999  Biosynthesis of secondary metabolites - unclassified
map01061  Biosynthesis of phenylpropanoids
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01220  Degradation of aromatic compounds
Module
M00039  Monolignol biosynthesis, phenylalanine/tyrosine => monolignol
M00137  Flavanone biosynthesis, phenylalanine => naringenin
Enzyme
1.2.1.44        1.3.1.117       1.14.11.62      1.14.13.-       
1.14.14.91      2.3.1.64        2.3.1.74        2.3.1.95        
2.3.1.133       2.3.1.153       2.3.1.170       2.3.1.173       
2.3.1.211       2.3.1.212       2.3.1.215       2.3.1.218       
2.3.1.219       2.3.1.229       2.3.1.249       2.3.1.-         
6.2.1.12
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Monolignols
   Paracoumaryl alcohol derivatives
    C00223  p-Coumaroyl-CoA
BRITE hierarchy
Other DBs
CAS: 119785-99-8
PubChem: 3523
ChEBI: 15499
ChEMBL: CHEMBL250086
KNApSAcK: C00007280
PDB-CCD: WCA[PDBj]
3DMET: B04651
NIKKAJI: J796.717I
LinkDB All DBs
KCF data Show

ATOM        59
            1   C2b C    13.0900  -16.5900
            2   C5a C    14.3500  -15.8900
            3   S2a S    15.5400  -16.5900
            4   C1b C    16.7300  -15.8900
            5   C1b C    17.9900  -16.5900
            6   N1b N    19.1800  -15.8900
            7   C5a C    20.3700  -16.5900
            8   C1b C    21.6300  -15.8900
            9   C1b C    22.8200  -16.5900
            10  N1b N    24.0100  -15.8900
            11  C5a C    25.2700  -16.5900
            12  C1c C    26.4600  -15.8900
            13  C1d C    27.6500  -16.5900
            14  C1b C    28.8400  -15.8900
            15  O2b O    30.1000  -16.5900
            16  O5a O    14.3500  -14.4900
            17  O5a O    20.3700  -17.9900
            18  O5a O    25.2700  -17.9900
            19  O1a O    26.4600  -14.4900
            20  C1a C    27.6500  -15.1900
            21  C1a C    27.6500  -17.9900
            22  P1b P    31.5000  -16.5900
            23  O1c O    32.9000  -16.5900
            24  O1c O    31.5000  -17.9900
            25  C1y C    24.9900  -11.6200
            26  C1y C    26.3900  -11.6200
            27  C1y C    26.8100  -10.2900
            28  O2x O    25.6900   -9.4500
            29  C1y C    24.5700  -10.2900
            30  C1b C    28.1400   -9.8700
            31  O1a O    24.1500  -12.7400
            32  O2b O    27.2300  -12.7400
            33  P1b P    28.6300  -12.7400
            34  O1c O    28.6300  -11.3400
            35  O1c O    30.0300  -12.7400
            36  O1c O    28.6300  -14.1400
            37  C8y C    20.4400   -8.4700
            38  C8y C    20.4400   -9.8700
            39  N4y N    22.8900   -9.8700
            40  C8x C    22.8900   -8.4700
            41  N5x N    21.6300   -7.7700
            42  C8y C    19.2500   -7.7700
            43  N5x N    17.9900   -8.4700
            44  C8x C    17.9900   -9.8700
            45  N5x N    19.2500  -10.5700
            46  N1a N    19.2500   -6.3700
            47  O2b O    30.1000  -10.2900
            48  P1b P    31.5000  -10.2900
            49  O1c O    31.5000   -8.8900
            50  O1c O    32.9000  -10.2900
            51  O2c O    31.5000  -13.5100
            52  C2b C    11.9000  -15.8900
            53  C8y C    10.7100  -16.5900
            54  C8x C    10.7100  -17.9900
            55  C8x C     9.4500  -18.6900
            56  C8y C     8.2600  -17.9900
            57  C8x C     8.2600  -16.5900
            58  C8x C     9.4500  -15.8900
            59  O1a O     7.0700  -18.6900
BOND        62
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15    2  16 2
            16    7  17 2
            17   11  18 2
            18   12  19 1 #Down
            19   13  20 1
            20   13  21 1
            21   15  22 1
            22   22  23 2
            23   22  24 1
            24   25  26 1
            25   26  27 1
            26   27  28 1
            27   28  29 1
            28   25  29 1
            29   27  30 1 #Down
            30   25  31 1 #Up
            31   26  32 1 #Up
            32   32  33 1
            33   33  34 1
            34   33  35 1
            35   33  36 2
            36   37  38 2
            37   38  39 1
            38   39  40 1
            39   40  41 2
            40   37  41 1
            41   37  42 1
            42   42  43 2
            43   43  44 1
            44   44  45 2
            45   38  45 1
            46   42  46 1
            47   29  39 1 #Down
            48   30  47 1
            49   47  48 1
            50   48  49 1
            51   48  50 2
            52   48  51 1
            53   22  51 1
            54    1  52 2
            55   52  53 1
            56   53  54 2
            57   54  55 1
            58   55  56 2
            59   56  57 1
            60   57  58 2
            61   53  58 1
            62   56  59 1

» Japanese version

DBGET integrated database retrieval system